Geometry & MOs

Info

ID:	246724
PubChem CID:	103064738
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-27.61
Dipole, Da:	6.33
IP(EA), eV:	-8.6(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-5-(propylamino)-N-(thiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

CNC1=CC=C(C=C1)C(=O)NC2CCSC2

DOS

IR

Vibrations